Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5501
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D NOESY' 1 $sample_1 . 5501 1
2 '2D TOCSY' 1 $sample_1 . 5501 1
3 'Diffusion experiment' 1 $sample_1 . 5501 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 ASP HA H 1 4.626 0.002 . 1 . . . . . . . . . 5501 1
2 . 1 1 1 1 ASP HB2 H 1 3.122 0.002 . 2 . . . . . . . . . 5501 1
3 . 1 1 1 1 ASP HB3 H 1 3.034 0.002 . 2 . . . . . . . . . 5501 1
4 . 1 1 2 2 THR HA H 1 4.234 0.002 . 1 . . . . . . . . . 5501 1
5 . 1 1 2 2 THR HB H 1 4.177 0.002 . 1 . . . . . . . . . 5501 1
6 . 1 1 2 2 THR HG21 H 1 1.132 0.002 . 1 . . . . . . . . . 5501 1
7 . 1 1 2 2 THR HG22 H 1 1.132 0.002 . 1 . . . . . . . . . 5501 1
8 . 1 1 2 2 THR HG23 H 1 1.132 0.002 . 1 . . . . . . . . . 5501 1
9 . 1 1 3 3 HIS HA H 1 4.631 0.002 . 1 . . . . . . . . . 5501 1
10 . 1 1 3 3 HIS HB2 H 1 3.117 0.002 . 2 . . . . . . . . . 5501 1
11 . 1 1 3 3 HIS HB3 H 1 3.036 0.002 . 2 . . . . . . . . . 5501 1
12 . 1 1 3 3 HIS HD2 H 1 7.192 0.002 . 1 . . . . . . . . . 5501 1
13 . 1 1 3 3 HIS HE1 H 1 8.552 0.002 . 1 . . . . . . . . . 5501 1
14 . 1 1 4 4 PHE HA H 1 4.906 0.002 . 1 . . . . . . . . . 5501 1
15 . 1 1 4 4 PHE HB2 H 1 3.186 0.002 . 2 . . . . . . . . . 5501 1
16 . 1 1 4 4 PHE HB3 H 1 2.880 0.002 . 2 . . . . . . . . . 5501 1
17 . 1 1 4 4 PHE HD1 H 1 7.293 0.002 . 1 . . . . . . . . . 5501 1
18 . 1 1 4 4 PHE HE1 H 1 7.356 0.002 . 3 . . . . . . . . . 5501 1
19 . 1 1 4 4 PHE HZ H 1 7.332 0.002 . 1 . . . . . . . . . 5501 1
20 . 1 1 4 4 PHE HE2 H 1 7.369 0.002 . 3 . . . . . . . . . 5501 1
21 . 1 1 4 4 PHE HD2 H 1 7.293 0.002 . 1 . . . . . . . . . 5501 1
22 . 1 1 5 5 PRO HA H 1 4.501 0.002 . 1 . . . . . . . . . 5501 1
23 . 1 1 5 5 PRO HB2 H 1 2.202 0.002 . 2 . . . . . . . . . 5501 1
24 . 1 1 5 5 PRO HB3 H 1 2.038 0.002 . 2 . . . . . . . . . 5501 1
25 . 1 1 5 5 PRO HG2 H 1 1.983 0.002 . 2 . . . . . . . . . 5501 1
26 . 1 1 5 5 PRO HG3 H 1 1.885 0.002 . 2 . . . . . . . . . 5501 1
27 . 1 1 5 5 PRO HD2 H 1 3.769 0.002 . 2 . . . . . . . . . 5501 1
28 . 1 1 5 5 PRO HD3 H 1 3.612 0.002 . 2 . . . . . . . . . 5501 1
29 . 1 1 6 6 ILE HA H 1 4.251 0.002 . 1 . . . . . . . . . 5501 1
30 . 1 1 6 6 ILE HB H 1 1.894 0.002 . 1 . . . . . . . . . 5501 1
31 . 1 1 6 6 ILE HG12 H 1 1.631 0.002 . 2 . . . . . . . . . 5501 1
32 . 1 1 6 6 ILE HG13 H 1 1.251 0.002 . 2 . . . . . . . . . 5501 1
33 . 1 1 6 6 ILE HD11 H 1 0.908 0.002 . 1 . . . . . . . . . 5501 1
34 . 1 1 6 6 ILE HD12 H 1 0.908 0.002 . 1 . . . . . . . . . 5501 1
35 . 1 1 6 6 ILE HD13 H 1 0.908 0.002 . 1 . . . . . . . . . 5501 1
36 . 1 1 6 6 ILE HG21 H 1 0.946 0.002 . 1 . . . . . . . . . 5501 1
37 . 1 1 6 6 ILE HG22 H 1 0.946 0.002 . 1 . . . . . . . . . 5501 1
38 . 1 1 6 6 ILE HG23 H 1 0.946 0.002 . 1 . . . . . . . . . 5501 1
39 . 1 1 7 7 CYS HA H 1 5.478 0.002 . 1 . . . . . . . . . 5501 1
40 . 1 1 7 7 CYS HB2 H 1 2.625 0.002 . 2 . . . . . . . . . 5501 1
41 . 1 1 7 7 CYS HB3 H 1 3.154 0.002 . 2 . . . . . . . . . 5501 1
42 . 1 1 8 8 ILE HA H 1 4.596 0.002 . 1 . . . . . . . . . 5501 1
43 . 1 1 8 8 ILE HB H 1 1.862 0.002 . 1 . . . . . . . . . 5501 1
44 . 1 1 8 8 ILE HG12 H 1 1.358 0.002 . 2 . . . . . . . . . 5501 1
45 . 1 1 8 8 ILE HG13 H 1 1.136 0.002 . 2 . . . . . . . . . 5501 1
46 . 1 1 8 8 ILE HD11 H 1 0.861 0.002 . 1 . . . . . . . . . 5501 1
47 . 1 1 8 8 ILE HD12 H 1 0.861 0.002 . 1 . . . . . . . . . 5501 1
48 . 1 1 8 8 ILE HD13 H 1 0.861 0.002 . 1 . . . . . . . . . 5501 1
49 . 1 1 8 8 ILE HG21 H 1 0.905 0.002 . 1 . . . . . . . . . 5501 1
50 . 1 1 8 8 ILE HG22 H 1 0.905 0.002 . 1 . . . . . . . . . 5501 1
51 . 1 1 8 8 ILE HG23 H 1 0.905 0.002 . 1 . . . . . . . . . 5501 1
52 . 1 1 9 9 PHE HA H 1 4.779 0.002 . 1 . . . . . . . . . 5501 1
53 . 1 1 9 9 PHE HB2 H 1 3.001 0.002 . 1 . . . . . . . . . 5501 1
54 . 1 1 9 9 PHE HB3 H 1 3.001 0.002 . 1 . . . . . . . . . 5501 1
55 . 1 1 9 9 PHE HD1 H 1 7.092 0.002 . 1 . . . . . . . . . 5501 1
56 . 1 1 9 9 PHE HE1 H 1 7.279 0.002 . 1 . . . . . . . . . 5501 1
57 . 1 1 9 9 PHE HZ H 1 7.214 0.002 . 1 . . . . . . . . . 5501 1
58 . 1 1 9 9 PHE HE2 H 1 7.279 0.002 . 1 . . . . . . . . . 5501 1
59 . 1 1 9 9 PHE HD2 H 1 7.092 0.002 . 1 . . . . . . . . . 5501 1
60 . 1 1 10 10 CYS HA H 1 4.829 0.002 . 1 . . . . . . . . . 5501 1
61 . 1 1 10 10 CYS HB2 H 1 3.453 0.002 . 2 . . . . . . . . . 5501 1
62 . 1 1 10 10 CYS HB3 H 1 3.053 0.002 . 2 . . . . . . . . . 5501 1
63 . 1 1 11 11 CYS HA H 1 4.918 0.002 . 1 . . . . . . . . . 5501 1
64 . 1 1 11 11 CYS HB2 H 1 3.008 0.002 . 2 . . . . . . . . . 5501 1
65 . 1 1 11 11 CYS HB3 H 1 2.946 0.002 . 2 . . . . . . . . . 5501 1
66 . 1 1 12 12 GLY HA2 H 1 4.060 0.002 . 1 . . . . . . . . . 5501 1
67 . 1 1 12 12 GLY HA3 H 1 4.060 0.002 . 1 . . . . . . . . . 5501 1
68 . 1 1 13 13 CYS HA H 1 4.928 0.002 . 1 . . . . . . . . . 5501 1
69 . 1 1 13 13 CYS HB2 H 1 3.388 0.002 . 2 . . . . . . . . . 5501 1
70 . 1 1 13 13 CYS HB3 H 1 3.241 0.002 . 2 . . . . . . . . . 5501 1
71 . 1 1 14 14 CYS HB2 H 1 3.240 0.002 . 2 . . . . . . . . . 5501 1
72 . 1 1 14 14 CYS HB3 H 1 3.114 0.002 . 2 . . . . . . . . . 5501 1
73 . 1 1 15 15 HIS HD2 H 1 7.209 0.002 . 1 . . . . . . . . . 5501 1
74 . 1 1 15 15 HIS HE1 H 1 8.588 0.002 . 1 . . . . . . . . . 5501 1
75 . 1 1 16 16 ARG HA H 1 4.520 0.002 . 1 . . . . . . . . . 5501 1
76 . 1 1 16 16 ARG HB2 H 1 1.849 0.002 . 2 . . . . . . . . . 5501 1
77 . 1 1 16 16 ARG HB3 H 1 1.885 0.002 . 2 . . . . . . . . . 5501 1
78 . 1 1 16 16 ARG HG2 H 1 1.678 0.002 . 2 . . . . . . . . . 5501 1
79 . 1 1 16 16 ARG HG3 H 1 1.616 0.002 . 2 . . . . . . . . . 5501 1
80 . 1 1 16 16 ARG HD2 H 1 3.169 0.002 . 1 . . . . . . . . . 5501 1
81 . 1 1 16 16 ARG HD3 H 1 3.169 0.002 . 1 . . . . . . . . . 5501 1
82 . 1 1 17 17 SER HA H 1 4.365 0.002 . 1 . . . . . . . . . 5501 1
83 . 1 1 17 17 SER HB2 H 1 3.924 0.002 . 1 . . . . . . . . . 5501 1
84 . 1 1 17 17 SER HB3 H 1 3.924 0.002 . 1 . . . . . . . . . 5501 1
85 . 1 1 18 18 LYS HA H 1 4.452 0.002 . 1 . . . . . . . . . 5501 1
86 . 1 1 18 18 LYS HB2 H 1 1.937 0.002 . 1 . . . . . . . . . 5501 1
87 . 1 1 18 18 LYS HB3 H 1 1.937 0.002 . 1 . . . . . . . . . 5501 1
88 . 1 1 18 18 LYS HG2 H 1 1.852 0.002 . 2 . . . . . . . . . 5501 1
89 . 1 1 18 18 LYS HG3 H 1 1.496 0.002 . 2 . . . . . . . . . 5501 1
90 . 1 1 18 18 LYS HD2 H 1 1.852 0.002 . 1 . . . . . . . . . 5501 1
91 . 1 1 18 18 LYS HD3 H 1 1.852 0.002 . 1 . . . . . . . . . 5501 1
92 . 1 1 18 18 LYS HE2 H 1 2.984 0.002 . 1 . . . . . . . . . 5501 1
93 . 1 1 18 18 LYS HE3 H 1 2.984 0.002 . 1 . . . . . . . . . 5501 1
94 . 1 1 19 19 CYS HA H 1 5.269 0.002 . 1 . . . . . . . . . 5501 1
95 . 1 1 19 19 CYS HB2 H 1 3.180 0.002 . 2 . . . . . . . . . 5501 1
96 . 1 1 19 19 CYS HB3 H 1 2.750 0.002 . 2 . . . . . . . . . 5501 1
97 . 1 1 20 20 GLY HA2 H 1 4.031 0.002 . 2 . . . . . . . . . 5501 1
98 . 1 1 20 20 GLY HA3 H 1 3.838 0.002 . 2 . . . . . . . . . 5501 1
99 . 1 1 21 21 MET HA H 1 4.937 0.002 . 1 . . . . . . . . . 5501 1
100 . 1 1 21 21 MET HB2 H 1 1.839 0.002 . 2 . . . . . . . . . 5501 1
101 . 1 1 21 21 MET HB3 H 1 2.090 0.002 . 2 . . . . . . . . . 5501 1
102 . 1 1 21 21 MET HG2 H 1 2.640 0.002 . 1 . . . . . . . . . 5501 1
103 . 1 1 21 21 MET HG3 H 1 2.640 0.002 . 1 . . . . . . . . . 5501 1
104 . 1 1 21 21 MET HE1 H 1 2.088 0.002 . 1 . . . . . . . . . 5501 1
105 . 1 1 21 21 MET HE2 H 1 2.088 0.002 . 1 . . . . . . . . . 5501 1
106 . 1 1 21 21 MET HE3 H 1 2.088 0.002 . 1 . . . . . . . . . 5501 1
107 . 1 1 22 22 CYS HA H 1 5.074 0.002 . 1 . . . . . . . . . 5501 1
108 . 1 1 22 22 CYS HB2 H 1 3.114 0.002 . 2 . . . . . . . . . 5501 1
109 . 1 1 22 22 CYS HB3 H 1 3.009 0.002 . 2 . . . . . . . . . 5501 1
110 . 1 1 23 23 CYS HA H 1 5.523 0.002 . 1 . . . . . . . . . 5501 1
111 . 1 1 23 23 CYS HB2 H 1 3.016 0.002 . 2 . . . . . . . . . 5501 1
112 . 1 1 23 23 CYS HB3 H 1 2.866 0.002 . 2 . . . . . . . . . 5501 1
113 . 1 1 24 24 LYS HA H 1 4.562 0.002 . 1 . . . . . . . . . 5501 1
114 . 1 1 24 24 LYS HB2 H 1 1.873 0.002 . 2 . . . . . . . . . 5501 1
115 . 1 1 24 24 LYS HB3 H 1 1.659 0.002 . 2 . . . . . . . . . 5501 1
116 . 1 1 24 24 LYS HG2 H 1 1.628 0.002 . 2 . . . . . . . . . 5501 1
117 . 1 1 24 24 LYS HG3 H 1 1.396 0.002 . 2 . . . . . . . . . 5501 1
118 . 1 1 24 24 LYS HD2 H 1 1.873 0.002 . 2 . . . . . . . . . 5501 1
119 . 1 1 24 24 LYS HD3 H 1 1.771 0.002 . 2 . . . . . . . . . 5501 1
120 . 1 1 24 24 LYS HE2 H 1 2.936 0.002 . 1 . . . . . . . . . 5501 1
121 . 1 1 24 24 LYS HE3 H 1 2.936 0.002 . 1 . . . . . . . . . 5501 1
122 . 1 1 25 25 THR HA H 1 4.236 0.002 . 1 . . . . . . . . . 5501 1
123 . 1 1 25 25 THR HB H 1 4.027 0.002 . 1 . . . . . . . . . 5501 1
124 . 1 1 25 25 THR HG21 H 1 1.071 0.002 . 1 . . . . . . . . . 5501 1
125 . 1 1 25 25 THR HG22 H 1 1.071 0.002 . 1 . . . . . . . . . 5501 1
126 . 1 1 25 25 THR HG23 H 1 1.071 0.002 . 1 . . . . . . . . . 5501 1
stop_
save_